FeatureHypothesis Class Reference

Internal structure used in FeatureFindingMetabo that keeps track of a feature hypothesis (isotope group hypothesis). More...

#include <OpenMS/FILTERING/DATAREDUCTION/FeatureFindingMetabo.h>

Collaboration diagram for FeatureHypothesis:

Public Member Functions
	FeatureHypothesis ()=default
	default constructor More...
	~FeatureHypothesis ()=default
	default destructor More...
	FeatureHypothesis (const FeatureHypothesis &)=default
	copy constructor More...
FeatureHypothesis &	operator= (const FeatureHypothesis &rhs)=default
	assignment operator More...
Size	getSize () const
String	getLabel () const
std::vector< String >	getLabels () const
double	getScore () const
void	setScore (const double &score)
SignedSize	getCharge () const
void	setCharge (const SignedSize &ch)
std::vector< double >	getAllIntensities (bool smoothed=false) const
std::vector< double >	getAllCentroidMZ () const
std::vector< double >	getAllCentroidRT () const
std::vector< double >	getIsotopeDistances () const
double	getCentroidMZ () const
double	getCentroidRT () const
double	getFWHM () const
void	addMassTrace (const MassTrace &)
	addMassTrace More...
double	getMonoisotopicFeatureIntensity (bool) const
double	getSummedFeatureIntensity (bool) const
double	getMaxIntensity (bool smoothed=false) const
	return highest apex of all isotope traces More...
Size	getNumFeatPoints () const
std::vector< ConvexHull2D >	getConvexHulls () const
std::vector< OpenMS::MSChromatogram >	getChromatograms (UInt64 feature_id) const

Private Attributes
std::vector< const MassTrace * >	iso_pattern_
double	feat_score_ {}
SignedSize	charge_ {}

Detailed Description

Internal structure used in FeatureFindingMetabo that keeps track of a feature hypothesis (isotope group hypothesis).

Constructor & Destructor Documentation

FeatureHypothesis() [1/2]

FeatureHypothesis ( )

default

default constructor

~FeatureHypothesis()

~FeatureHypothesis ( )

default

default destructor

FeatureHypothesis() [2/2]

FeatureHypothesis ( const FeatureHypothesis &  )

default

copy constructor

Member Function Documentation

addMassTrace()

void addMassTrace

(

const MassTrace &

)

addMassTrace

getAllCentroidMZ()

std::vector<double> getAllCentroidMZ

(

)

const

getAllCentroidRT()

std::vector<double> getAllCentroidRT

(

)

const

getAllIntensities()

std::vector<double> getAllIntensities

(

bool

smoothed = false

)

const

getCentroidMZ()

double getCentroidMZ

(

)

const

getCentroidRT()

double getCentroidRT

(

)

const

getCharge()

SignedSize getCharge

(

)

const

getChromatograms()

std::vector< OpenMS::MSChromatogram > getChromatograms

(

UInt64

feature_id

)

const

getConvexHulls()

std::vector<ConvexHull2D> getConvexHulls

(

)

const

getFWHM()

double getFWHM

(

)

const

getIsotopeDistances()

std::vector<double> getIsotopeDistances

(

)

const

getLabel()

String getLabel

(

)

const

getLabels()

std::vector<String> getLabels

(

)

const

getMaxIntensity()

double getMaxIntensity

(

bool

smoothed = false

)

const

return highest apex of all isotope traces

getMonoisotopicFeatureIntensity()

double getMonoisotopicFeatureIntensity

(

bool

)

const

getNumFeatPoints()

Size getNumFeatPoints

(

)

const

getScore()

double getScore

(

)

const

Referenced by CmpHypothesesByScore::operator()().

getSize()

Size getSize

(

)

const

getSummedFeatureIntensity()

double getSummedFeatureIntensity

(

bool

)

const

operator=()

FeatureHypothesis& operator= ( const FeatureHypothesis &  rhs )

default

assignment operator

setCharge()

void setCharge

(

const SignedSize &

ch

)

setScore()

void setScore

(

const double &

score

)

Member Data Documentation

charge_

SignedSize charge_ {}

private

feat_score_

double feat_score_ {}

private

iso_pattern_

std::vector<const MassTrace*> iso_pattern_

private